NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7170 8.2048 120.4227 55.1900 33.5074 174.8609 2 I 3.7471 8.3050 128.5781 60.5033 38.1952 169.9011 3 V 4.8605 8.5599 127.3287 61.3373 34.1698 174.2042 4 T 4.8586 8.7633 121.4126 60.9213 70.7692 174.4524 5 T 4.4942 8.9351 115.8566 62.5751 69.7144 174.9687 6 T 4.2157 7.8321 113.5675 61.7590 70.1064 174.5546 7 S 4.9438 9.1890 116.8124 55.9998 62.6792 174.6778 8 G 4.5399 6.8059 115.0317 45.3288 0.0000 171.2803 9 I 4.4536 7.7941 123.0211 59.2384 40.0395 175.4112 10 Q 4.3214 8.6876 122.5420 56.5096 28.9570 175.6924 11 G 3.8485 10.5356 111.3208 45.1706 0.0000 173.2291 12 K 4.2980 7.5271 119.1767 54.6904 33.6577 175.2882 13 E 4.0282 8.5812 122.5511 56.3444 30.0566 176.5882 14 I 4.2174 8.1254 122.6522 60.7957 38.0159 175.5576 15 I 4.4397 8.1682 117.6073 60.9556 39.8239 175.4838 16 E 4.6294 7.7456 123.4425 54.8459 33.2316 173.4479 17 Y 4.6315 8.7713 124.7535 56.8937 38.1414 175.8165 18 I 3.9180 8.9089 126.1762 63.0115 37.6645 176.0278 19 D 4.4469 7.5466 118.6226 53.7163 44.5073 174.2203 20 I 4.6588 8.4654 122.8605 60.9833 38.1885 175.9352 21 V 4.6647 8.9452 119.2533 59.8884 35.5780 174.2885 22 N 5.4405 8.5441 117.9696 52.2094 42.8684 174.1390 23 G 4.4330 9.2569 107.9848 44.9842 0.0000 171.3459 24 E 5.9220 8.7863 117.7970 54.6197 32.8437 174.1794 25 A 4.8040 8.4764 121.6197 50.3885 23.0321 174.7764 26 I 5.0457 8.4494 121.1971 59.6140 40.2899 174.9112 27 M 4.7933 9.2000 123.2155 54.2607 34.8351 174.6365 28 G 4.8485 9.4740 107.6870 45.9049 0.0000 172.1417 29 A 3.7233 8.8022 126.4937 51.9765 18.5291 177.5361 *51 E 4.3886 8.1738 120.7133 56.5950 31.6207 178.0319 52 S 4.2692 7.8474 113.2652 60.9741 63.2814 176.2029 53 K 4.1264 8.0003 121.3958 58.4434 31.8885 178.8925 54 L 3.9746 7.7244 120.7599 57.9446 42.1663 178.5684 55 K 3.9347 7.9345 119.1446 59.5203 32.0314 178.4321 56 E 3.9478 8.0881 118.0856 59.4128 29.3550 179.1031 57 A 3.9809 8.1254 120.6628 55.3172 18.3889 179.5648 58 R 3.8173 8.2056 117.1676 59.6376 30.0614 178.4322 59 D 4.3254 8.2110 118.5071 57.4609 40.7962 178.6929 60 I 3.6596 8.0437 120.3060 64.3374 37.1529 178.1415 61 A 3.9635 8.2476 121.7467 55.6062 18.1272 179.6203 62 M 4.0015 8.1988 117.0907 58.7008 32.0299 178.7744 63 D 4.3440 8.4807 119.4016 57.4343 40.8689 178.7343 64 E 3.9586 8.4592 119.3367 59.5313 29.3933 179.1435 65 M 4.0172 8.1453 118.2226 58.5745 32.2865 178.3931 66 K 3.9317 8.2975 118.9329 59.3308 32.2093 178.7933 67 E 3.9069 8.3242 119.5858 59.3415 29.5379 179.0057 68 L 3.9322 7.7590 118.3853 57.6555 41.7364 179.0756 69 A 3.9617 8.0923 120.8423 55.3129 18.2849 179.6112 70 K 3.8970 8.2225 117.9694 59.8391 32.0472 179.0282 71 Q 4.1109 7.9135 117.1306 58.2443 28.7301 177.7652 72 K 4.3222 7.7640 117.4844 56.4912 32.3207 177.6763 73 G 3.8373 7.8877 107.6248 45.3630 0.0000 173.6333 74 A 4.4872 7.7363 121.9916 51.5955 19.2338 177.6273 75 N 5.1489 8.8254 115.9961 52.1220 39.2155 173.4223 76 A 4.7972 7.5564 119.1433 51.5226 23.0223 175.6610 77 I 4.9855 8.7000 120.0633 59.7093 40.9091 175.3898 78 V 4.6908 8.7321 119.5994 58.8083 35.6955 175.3643 79 G 4.0703 8.9343 108.4186 46.7306 0.0000 174.3104 80 V 4.1617 7.7093 118.2537 62.5143 33.3811 174.7949 81 D 5.0154 9.1518 126.2790 52.4059 44.8997 174.1252 82 V 4.8268 8.4541 123.9676 59.9866 33.8026 174.4882 83 D 5.0756 9.1213 123.0417 52.6586 44.7660 174.3221 84 Y 5.1444 8.5602 118.1557 56.2627 41.2826 174.7038 85 E 4.5817 9.4712 124.6593 54.6876 33.5711 174.7543 86 V 4.3975 8.5163 126.4658 61.1343 30.5950 175.6546 87 V 3.8472 8.3982 126.2418 65.3653 32.6951 176.5136 88 R 4.6686 7.4128 116.1484 56.2907 29.7081 177.6181 89 D 4.7237 8.8776 127.3125 54.8788 43.8224 174.5345 90 G 4.0004 9.1970 112.2277 45.0973 0.0000 172.1047 91 M 5.3639 7.8511 119.7124 53.4558 33.8825 174.4004 92 L 4.8638 8.4953 128.4278 53.6138 44.7827 174.3381 93 M 5.1074 9.4247 127.0656 53.9864 34.7014 174.6856 94 V 4.7480 8.7420 125.0354 59.7580 34.2561 174.1470 95 A 5.2001 8.8882 127.2627 49.9892 21.8539 175.0214 96 V 4.8640 8.8688 116.1714 59.5366 34.5484 175.2337 97 S 5.1759 8.5342 118.2835 56.8646 66.8820 172.8456 98 G 4.2381 8.2781 105.0523 46.2712 0.0000 172.6457 99 T 5.1054 8.4546 118.3467 61.5662 70.1355 174.3660 100 A 4.5351 8.7431 130.1803 52.1395 19.4970 176.7127 101 V 4.9055 8.9665 115.3757 59.8148 37.0305 174.4741 102 R 5.1106 8.5179 120.3314 54.3581 32.9511 176.9716 103 I 4.5261 8.5079 115.0755 59.9667 37.6699 175.1521 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.20 4.72 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 2 I 8.30 3.75 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.90 0.00 0.00 3 V 8.56 4.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 4 T 8.76 4.86 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 T 8.94 4.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 6 T 7.83 4.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 S 9.19 4.94 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 6.81 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.79 4.45 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.90 0.00 0.00 10 Q 8.69 4.32 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 11 G 10.54 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.53 4.30 0.00 1.67 1.71 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.47 7.81 13 E 8.58 4.03 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 14 I 8.13 4.22 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.03 0.00 0.00 15 I 8.17 4.44 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.92 0.00 0.00 16 E 7.75 4.63 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 17 Y 8.77 4.63 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.91 3.92 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.98 0.00 0.00 19 D 7.55 4.45 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.47 4.66 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.91 0.00 0.00 21 V 8.95 4.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 22 N 8.54 5.44 0.00 2.53 2.64 0.00 0.00 6.65 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.26 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.79 5.92 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 25 A 8.48 4.80 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.45 5.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.92 0.00 0.00 27 M 9.20 4.79 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 28 G 9.47 4.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.80 3.72 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 E 8.17 4.39 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 52 S 7.85 4.27 0.00 4.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.00 4.13 0.00 1.80 1.90 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.44 7.81 54 L 7.72 3.97 0.00 1.73 1.83 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.93 3.93 0.00 2.03 1.81 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.65 7.81 56 E 8.09 3.95 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 57 A 8.13 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.21 3.82 0.00 2.10 2.07 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 59 D 8.21 4.33 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.04 3.66 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.91 0.00 0.00 61 A 8.25 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.20 4.00 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 63 D 8.48 4.34 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.46 3.96 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 65 M 8.15 4.02 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 66 K 8.30 3.93 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.55 7.81 67 E 8.32 3.91 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 68 L 7.76 3.93 0.00 1.87 1.69 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.09 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.22 3.90 0.00 2.04 1.93 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 71 Q 7.91 4.11 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 72 K 7.76 4.32 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 73 G 7.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.74 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.83 5.15 0.00 2.78 2.96 0.00 0.00 6.82 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.56 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.70 4.99 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.92 0.00 0.00 78 V 8.73 4.69 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.03 0.00 0.00 79 G 8.93 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.71 4.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 81 D 9.15 5.02 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.45 4.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.44 0.00 0.00 83 D 9.12 5.08 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.56 5.14 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.47 4.58 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 86 V 8.52 4.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.95 0.00 0.00 87 V 8.40 3.85 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 88 R 7.41 4.67 0.00 1.82 1.32 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 89 D 8.88 4.72 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 9.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.85 5.36 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 92 L 8.50 4.86 0.00 1.83 1.53 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 93 M 9.42 5.11 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 94 V 8.74 4.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.52 0.00 0.00 95 A 8.89 5.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.87 4.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.91 0.00 0.00 97 S 8.53 5.18 0.00 3.84 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.45 5.11 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 100 A 8.74 4.54 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.97 4.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.81 0.00 0.00 102 R 8.52 5.11 0.00 1.69 1.74 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 103 I 8.51 4.53 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.83 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.